3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid

C13H20N2O3 — CID 115083507

IUPAC3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
SMILESCN1CCCC(Cc2nc(CCC(=O)O)co2)C1
InChIInChI=1S/C13H20N2O3/c1-15-6-2-3-10(8-15)7-12-14-11(9-18-12)4-5-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyJGBRIUOSEWRJSB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.58
Rot. Bonds5

About 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid

3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid (PubChem CID 115083507) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
PubChem CID115083507
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
SMILESCN1CCCC(Cc2nc(CCC(=O)O)co2)C1
InChIInChI=1S/C13H20N2O3/c1-15-6-2-3-10(8-15)7-12-14-11(9-18-12)4-5-13(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyJGBRIUOSEWRJSB-UHFFFAOYSA-N
XLogP1.58
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083401
3-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083344
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115082879
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082307
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
CID 95804870
3-[5-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115078658
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115083403
3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 82412935
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082322
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
CID 115081944
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid (CID 115083507) is 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid is CN1CCCC(Cc2nc(CCC(=O)O)co2)C1.
What is the InChIKey of 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is JGBRIUOSEWRJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-6-2-3-10(8-15)7-12-14-11(9-18-12)4-5-13(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid?
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 115083507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).